3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid

C13H19N3O3 — CID 136958739

IUPAC3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
SMILESCc1nc(N2CCCCC2CCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(8-12(17)15-9)16-7-3-2-4-10(16)5-6-13(18)19/h8,10H,2-7H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyCDHUFJBLKOQWGV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds4

About 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid

3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid (PubChem CID 136958739) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
PubChem CID136958739
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
SMILESCc1nc(N2CCCCC2CCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(8-12(17)15-9)16-7-3-2-4-10(16)5-6-13(18)19/h8,10H,2-7H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyCDHUFJBLKOQWGV-UHFFFAOYSA-N
XLogP1.30
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
4-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137007881
3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216303
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
CID 65267660
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 136958964
3-[1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidin-2-yl]propanoic acid
CID 81050038
2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007942
3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 117028139
2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 136865958
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid (CID 136958739) is 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid is Cc1nc(N2CCCCC2CCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The InChIKey is CDHUFJBLKOQWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-14-11(8-12(17)15-9)16-7-3-2-4-10(16)5-6-13(18)19/h8,10H,2-7H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid?
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 136958739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).